⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23803919 | 1.00 | — | — | |
| SCHEMBL31296255 | 0.83 | — | — | |
| SCHEMBL4293677 | 0.82 | — | — | |
| SCHEMBL22042226 | 0.80 | — | — | |
| SCHEMBL5494585 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL23581065 | 0.73 | — | — | |
| SCHEMBL27933 | 0.73 | — | — | |
| SCHEMBL2004332 | 0.73 | — | — | |
| SCHEMBL28847390 | 0.73 | — | — | |
| SCHEMBL8509677 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105899508-B | Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2017-07-04 | — | — | CN | disclosed |
| EP-2968445-A2 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | Su, Zhuang (US) | 2016-01-20 | — | — | EP | disclosed |
| EP-2836539-A1 | MATERIALS COATED WITH CALIXARENES | Université Libre de Bruxelles (ULB) (BE) | 2015-02-18 | — | — | EP | disclosed |
| WO-2014145686-A2 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | SU ZHUANG (US) | 2014-09-18 | — | — | WO | disclosed |
| WO-2014126580-A1 | PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2014-08-21 | — | — | WO | disclosed |
| WO-2013152967-A1 | MATERIALS COATED WITH CALIXARENES | UNIVERSITE LIBRE DE BRUXELLES (ULB) (BE) | 2013-10-17 | — | — | WO | disclosed |
| WO-2013106254-A1 | PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2013-07-18 | — | — | WO | disclosed |
| EP-2049514-A1 | NITRATE ESTERS OF PIPERIDINES | Speedel Experimenta AG (CH) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008017685-A1 | NITRATE ESTERS OF PIPERIDINES | SPEEDEL EXPERIMENTA AG (CH) | 2008-02-14 | — | — | WO | disclosed |
| WO-1999058485-A1 | A PROCESS FOR THE SYNTHESIS OF ALKOXYALKYL (TRIFLUOROMETHYLPHENYL) METHANONES | SUN PHARMACEUTICALS INDUSTRIES LTD. (IN) | 1999-11-18 | — | — | WO | disclosed |
| US-4560447-A | Electrolytic process for preparation of α-alkylated acetic acid derivatives | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1985-12-24 | — | — | US | disclosed |
| EP-0096995-A2 | Pyrazolopyridine compounds | ICI AMERICAS INC. (US) | 1983-12-28 | — | — | EP | disclosed |